N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide

C26H28FN3O6 — CID 55784838

About N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide

N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide (PubChem CID 55784838) has the molecular formula C26H28FN3O6 and a molecular weight of 497.52 g/mol. Its IUPAC name is N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
• PubChem CID: 55784838
• Molecular Formula: C26H28FN3O6
• Molecular Weight: 497.52 g/mol
• Exact Mass: 497.20
• IUPAC Name: N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
• SMILES: COc1ccccc1OCc1ccc(C(=O)Nc2ccc(F)c(NC(=O)CCN3CCOCC3)c2)o1
• InChI: InChI=1S/C26H28FN3O6/c1-33-22-4-2-3-5-23(22)35-17-19-7-9-24(36-19)26(32)28-18-6-8-20(27)21(16-18)29-25(31)10-11-30-12-14-34-15-13-30/h2-9,16H,10-15,17H2,1H3,(H,28,32)(H,29,31)
• InChIKey: LASFGEBRLNQLMX-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 102.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.52
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide?

The IUPAC name of N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide (CID 55784838) is N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide.

What is the SMILES notation for N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide?

The canonical SMILES for N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide is COc1ccccc1OCc1ccc(C(=O)Nc2ccc(F)c(NC(=O)CCN3CCOCC3)c2)o1.

What is the InChIKey of N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide?

The InChIKey is LASFGEBRLNQLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O6/c1-33-22-4-2-3-5-23(22)35-17-19-7-9-24(36-19)26(32)28-18-6-8-20(27)21(16-18)29-25(31)10-11-30-12-14-34-15-13-30/h2-9,16H,10-15,17H2,1H3,(H,28,32)(H,29,31).

What are the key properties of N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide?

N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide has a molecular weight of 497.52 g/mol, XLogP of 3.92, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 55784838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).